2-Chloro-4-(tributylstannyl)pyrimidine - ≥95% , CAS No.446286-25-5

CAS: 446286-25-5 Cat. No.: C170409 Molecular Weight: 403.58 EC Number: 803-906-1

GRADE & PURITY ≥95%

Synonyms

2-Chloro-4-(tributylstannyl)pyrimidine | 2-Chloro-4-tributylstannanyl-pyrimidine | A50103 | tributyl-(2-chloropyrimidin-4-yl)stannane | MFCD16170326 | SCHEMBL9899998 | J-508699 | FT-0685892 | 2-chloro-4-(tributyl)stannyl pyrimidine | DTXSID60676684 | 2-Ch

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Chloro-4-(tributylstannyl)pyrimidine | 2-Chloro-4-tributylstannanyl-pyrimidine | A50103 | tributyl-(2-chloropyrimidin-4-yl)stannane | MFCD16170326 | SCHEMBL9899998 | J-508699 | FT-0685892 | 2-chloro-4-(tributyl)stannyl pyrimidine | DTXSID60676684 | 2-Ch

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504770802
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770802
• Canonical Smiles: CCCC[Sn](CCCC)(CCCC)C1=NC(=NC=C1)Cl
• IUPAC Name: tributyl-(2-chloropyrimidin-4-yl)stannane
• InChIKey: RYGIFHOTRLEMGG-UHFFFAOYSA-N
• INCHI: 1S/C4H2ClN2.3C4H9.Sn/c5-4-6-2-1-3-7-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3
• Isomeric SMILES: CCCC[Sn](CCCC)(CCCC)C1=NC(=NC=C1)Cl
• WGK Germany: 3
• Molecular Weight: 403.58
• Reaxy-Rn: 14253456
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14253456&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Metal aryls Aryl chlorides Heteroaromatic compounds Trialkyltins Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyrimidine - Aryl chloride - Metal aryl - Aryl halide - Heteroaromatic compound - Trialkyltin - Azacycle - Organic nitrogen compound - Organotin compound - Organonitrogen compound - Organometallic compound - Organochloride - Organic post-transition metal moeity - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 403.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 404.104 Da
• Monoisotopic Mass: 404.104 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 229.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3